N-(4-methyl-2-oxidanylidene-chromen-7-yl)-4-(phenylmethyl)piperazine-1-carbothioamide

Systemtic Name: N-(4-methyl-2-oxidanylidene-chromen-7-yl)-4-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: 4-benzyl-N-(4-methyl-2-oxo-chromen-7-yl)piperazine-1-carbothioamide CAS Name: N-(4-methyl-2-oxo-1-benzopyran-7-yl)-4-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-benzyl-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide Traditional Name: 4-benzyl-N-(2-keto-4-methyl-chromen-7-yl)piperazine-1-carbothioamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H23N3O2S/c1-16-13-21(26)27-20-14-18(7-8-19(16)20)23-22(28)25-11-9-24(10-12-25)15-17-5-3-2-4-6-17/h2-8,13-14H,9-12,15H2,1H3,(H,23,28)